For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

5-oxohexanoic acid

View entire compound with spectra: 4 NMR, 5 FTIR, 1 Raman, and 7 MS (GC)

5-oxohexanoic acid
SpectraBase Compound ID 9AivOT1YpvP
InChI InChI=1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)
InChIKey MGTZCLMLSSAXLD-UHFFFAOYSA-N
Mol Weight 130.14 g/mol
Molecular Formula C6H10O3
Exact Mass 130.062994 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JmEa4KYJ3JH
Name 4-Acetylbutyric acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number A13204
CAS Registry Number 3128-06-1
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H10O3
InChI InChI=1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)
InChIKey MGTZCLMLSSAXLD-UHFFFAOYSA-N
Observed nucleus 1H
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 5-Ketohexanoic acid
Wiley ID SIAL_1HNMR_010520